CID 171970

N-tert-octylacrylamide

Structural Information

Molecular Formula

C₁₁H₂₁NO

SMILES

CC(C)(C)CC(C)(C)NC(=O)C=C

InChI

InChI=1S/C11H21NO/c1-7-9(13)12-11(5,6)8-10(2,3)4/h7H,1,8H2,2-6H3,(H,12,13)

InChIKey

YRDNVESFWXDNSI-UHFFFAOYSA-N

Compound name

N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 6779
Patents: 183.16231 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	184.16959	145.0
[M+Na]+	206.15153	150.8
[M-H]-	182.15503	145.3
[M+NH4]+	201.19613	165.1
[M+K]+	222.12547	149.8
[M+H-H2O]+	166.15957	140.9
[M+HCOO]-	228.16051	164.8
[M+CH3COO]-	242.17616	187.4
[M+Na-2H]-	204.13698	150.0
[M]+	183.16176	145.7
[M]-	183.16286	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe